SCHEMBL11775484

SCHEMBL11775484

COc1ccc(S(=O)(=O)Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.48
MAOB P27338 1/20 0.48
KMT2A Q03164 2/20 0.47
APEX1 P27695 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
MEN1 O00255 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11583247 0.91 POLB (0.51) SMN1; SMN2L3MBTL1HTTLMNATDP1
SCHEMBL11780056 0.88 MEN1 (0.56) L3MBTL1HTTLMNAALDH1A1POLB
SCHEMBL1636289 0.87 POLB (0.55) SMN1; SMN2L3MBTL1HTTLMNATDP1
SCHEMBL11777522 0.86 AKR1C3 (0.51) SMN1; SMN2L3MBTL1HTTLMNATDP1
SCHEMBL11777951 0.86 TDP1 (0.53) SMN1; SMN2L3MBTL1HTTLMNATDP1
Water SCHEMBL7466907 0.86 POLB (0.54) SMN1; SMN2L3MBTL1HTTLMNATDP1
SCHEMBL11775259 0.85 POLB (0.47) SMN1; SMN2L3MBTL1HTTLMNATDP1
SCHEMBL11776014 0.85 TDP1 (0.57) SMN1; SMN2L3MBTL1TDP1ALDH1A1POLB
SCHEMBL11775043 0.85 POLB (0.47) SMN1; SMN2L3MBTL1HTTLMNATDP1
SCHEMBL11773744 0.84 MEN1 (0.56) SMN1; SMN2L3MBTL1TDP1ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3932419-A QUINOLINE DYES BAYER AKTIENGESELLSCHAFT (DT) 1976-01-13 US disclosed